N-(1-amino-2,3-dimethylbutan-2-yl)-5-[(2,6-dichlorophenoxy)methyl]-1,2-oxazole-3-carboxamide

C17H21Cl2N3O3 — CID 119609133

IUPACN-(1-amino-2,3-dimethylbutan-2-yl)-5-[(2,6-dichlorophenoxy)methyl]-1,2-oxazole-3-carboxamide
SMILESCC(C)C(C)(CN)NC(=O)c1cc(COc2c(Cl)cccc2Cl)on1
InChIInChI=1S/C17H21Cl2N3O3/c1-10(2)17(3,9-20)21-16(23)14-7-11(25-22-14)8-24-15-12(18)5-4-6-13(15)19/h4-7,10H,8-9,20H2,1-3H3,(H,21,23)
InChIKeyAILWZJMROGPDSE-UHFFFAOYSA-N
MW386.28 g/mol
LogP3.66
Rot. Bonds7

About N-(1-amino-2,3-dimethylbutan-2-yl)-5-[(2,6-dichlorophenoxy)methyl]-1,2-oxazole-3-carboxamide

N-(1-amino-2,3-dimethylbutan-2-yl)-5-[(2,6-dichlorophenoxy)methyl]-1,2-oxazole-3-carboxamide (PubChem CID 119609133) has the molecular formula C17H21Cl2N3O3 and a molecular weight of 386.28 g/mol. Its IUPAC name is N-(1-amino-2,3-dimethylbutan-2-yl)-5-[(2,6-dichlorophenoxy)methyl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-(1-amino-2,3-dimethylbutan-2-yl)-5-[(2,6-dichlorophenoxy)methyl]-1,2-oxazole-3-carboxamide
PubChem CID119609133
Molecular FormulaC17H21Cl2N3O3
Molecular Weight386.28 g/mol
Exact Mass385.10
IUPAC NameN-(1-amino-2,3-dimethylbutan-2-yl)-5-[(2,6-dichlorophenoxy)methyl]-1,2-oxazole-3-carboxamide
SMILESCC(C)C(C)(CN)NC(=O)c1cc(COc2c(Cl)cccc2Cl)on1
InChIInChI=1S/C17H21Cl2N3O3/c1-10(2)17(3,9-20)21-16(23)14-7-11(25-22-14)8-24-15-12(18)5-4-6-13(15)19/h4-7,10H,8-9,20H2,1-3H3,(H,21,23)
InChIKeyAILWZJMROGPDSE-UHFFFAOYSA-N
XLogP3.66
TPSA90.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.28
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2,3-dimethylbutan-2-yl)-5-[(2,6-dichlorophenoxy)methyl]-1,2-oxazole-3-carboxamide?
The IUPAC name of N-(1-amino-2,3-dimethylbutan-2-yl)-5-[(2,6-dichlorophenoxy)methyl]-1,2-oxazole-3-carboxamide (CID 119609133) is N-(1-amino-2,3-dimethylbutan-2-yl)-5-[(2,6-dichlorophenoxy)methyl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-(1-amino-2,3-dimethylbutan-2-yl)-5-[(2,6-dichlorophenoxy)methyl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-(1-amino-2,3-dimethylbutan-2-yl)-5-[(2,6-dichlorophenoxy)methyl]-1,2-oxazole-3-carboxamide is CC(C)C(C)(CN)NC(=O)c1cc(COc2c(Cl)cccc2Cl)on1.
What is the InChIKey of N-(1-amino-2,3-dimethylbutan-2-yl)-5-[(2,6-dichlorophenoxy)methyl]-1,2-oxazole-3-carboxamide?
The InChIKey is AILWZJMROGPDSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21Cl2N3O3/c1-10(2)17(3,9-20)21-16(23)14-7-11(25-22-14)8-24-15-12(18)5-4-6-13(15)19/h4-7,10H,8-9,20H2,1-3H3,(H,21,23).
What are the key properties of N-(1-amino-2,3-dimethylbutan-2-yl)-5-[(2,6-dichlorophenoxy)methyl]-1,2-oxazole-3-carboxamide?
N-(1-amino-2,3-dimethylbutan-2-yl)-5-[(2,6-dichlorophenoxy)methyl]-1,2-oxazole-3-carboxamide has a molecular weight of 386.28 g/mol, XLogP of 3.66, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2,3-dimethylbutan-2-yl)-5-[(2,6-dichlorophenoxy)methyl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 119609133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).